2XSH

CRYSTAL STRUCTURE OF P4 VARIANT OF BIPHENYL DIOXYGENASE FROM BURKHOLDERIA XENOVORANS LB400 IN COMPLEX WITH 2,6 DI CHLOROBIPHENYL

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C, E, G, I...	BIPHENYL DIOXYGENASE SUBUNIT ALPHA	polymer	459	51528.4	6	UniProt (P37333) Pfam (PF00355) Pfam (PF00848) In PDB	BURKHOLDERIA XENOVORANS	BIPHENYL 2\,3-DIOXYGENASE, BIPHENYL DIOXYGENASE VARIANT P4
2	B, D, F, H, J...	BIPHENYL DIOXYGENASE SUBUNIT BETA	polymer	188	22113.8	6	UniProt (P37334) Pfam (PF00866) In PDB	BURKHOLDERIA XENOVORANS	BIPHENYL 2\,3-DIOXYGENASE
3	A, C, E, G, I...	FE2/S2 (INORGANIC) CLUSTER	non-polymer		175.8	6	Chemie (FES)
4	K, A, C, E, G...	FE (II) ION	non-polymer		55.8	6	Chemie (FE2)
5	A, C, E	2,6-DICHLOROBIPHENYL	non-polymer		223.1	3	Chemie (DC5)
6		water	water		18.0	993	Chemie (HOH)

Sequence modifications

A, C, E, G, I, K: 1 - 459 (UniProt: P37333)

PDB	External Database	Details
Ala 335	Thr 335	engineered mutation
Met 336	Phe 336	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	12
	Total formula weight	441853.4
Non-Polymers*	Number of molecules	15
	Total formula weight	2059.3
All*	Total formula weight	443912.7

*Water molecules are not included.